Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 15/20 | 0.53 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.37 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21331877 | 0.88 | SLC22A12 (0.51) | SLC22A12CYP3A4CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL21350641 | 0.85 | CYP4F2 (0.47) | SLC22A12CCNCCDK8CYP3A4CYP2C9 | |
| SCHEMBL21331853 | 0.84 | CCNC (0.46) | SLC22A12CCNCCDK8CYP2C9TBXAS1 | |
| SCHEMBL21333890 | 0.82 | CCNC (0.44) | SLC22A12CCNCCDK8TBXAS1FTO | |
| SCHEMBL21331873 | 0.82 | SLC22A12 (0.50) | SLC22A12CCNCCDK8TBXAS1FTO | |
| SCHEMBL21331867 | 0.82 | CCNC (0.44) | SLC22A12CCNCCDK8TBXAS1FTO | |
| SCHEMBL21350908 | 0.82 | CCNC (0.44) | SLC22A12CCNCCDK8TBXAS1FTO | |
| SCHEMBL21350520 | 0.82 | CCNC (0.52) | CCNCCDK8TBXAS1CYP1A2FTO | |
| SCHEMBL28415065 | 0.80 | SLC22A12 (0.61) | SLC22A12CCNCCDK8SLC22A11 | |
| SCHEMBL21331886 | 0.79 | CCNC (0.42) | SLC22A12CCNCCDK8CYP2C9TBXAS1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108440397-B | 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof | 南方医科大学 | 2020-06-05 | — | — | CN | disclosed |
| WO-2019169890-A1 | 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF | 南方医科大学 | 2019-09-12 | — | — | WO | disclosed |